(2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone

C17H15ClFNO2 — CID 775599

IUPAC(2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(F)c(N2CCOCC2)cc1Cl
InChIInChI=1S/C17H15ClFNO2/c18-14-11-16(20-6-8-22-9-7-20)15(19)10-13(14)17(21)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
InChIKeyJWVGZWYRHFEXPI-UHFFFAOYSA-N
MW319.76 g/mol
LogP3.55
Rot. Bonds3

About (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone

(2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone (PubChem CID 775599) has the molecular formula C17H15ClFNO2 and a molecular weight of 319.76 g/mol. Its IUPAC name is (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone
PubChem CID775599
Molecular FormulaC17H15ClFNO2
Molecular Weight319.76 g/mol
Exact Mass319.08
IUPAC Name(2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(F)c(N2CCOCC2)cc1Cl
InChIInChI=1S/C17H15ClFNO2/c18-14-11-16(20-6-8-22-9-7-20)15(19)10-13(14)17(21)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
InChIKeyJWVGZWYRHFEXPI-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone?
The IUPAC name of (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone (CID 775599) is (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone.
What is the SMILES notation for (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone?
The canonical SMILES for (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone is O=C(c1ccccc1)c1cc(F)c(N2CCOCC2)cc1Cl.
What is the InChIKey of (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone?
The InChIKey is JWVGZWYRHFEXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO2/c18-14-11-16(20-6-8-22-9-7-20)15(19)10-13(14)17(21)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2.
What are the key properties of (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone?
(2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone has a molecular weight of 319.76 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone is sourced from PubChem (CID 775599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).